methyl 2-oxo-3-pyridin-2-ylpropanoate

C9H9NO3 — CID 13353658

IUPACmethyl 2-oxo-3-pyridin-2-ylpropanoate
SMILESCOC(=O)C(=O)Cc1ccccn1
InChIInChI=1S/C9H9NO3/c1-13-9(12)8(11)6-7-4-2-3-5-10-7/h2-5H,6H2,1H3
InChIKeyGUYRUKAOOXUUFV-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.37
Rot. Bonds3

About methyl 2-oxo-3-pyridin-2-ylpropanoate

methyl 2-oxo-3-pyridin-2-ylpropanoate (PubChem CID 13353658) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is methyl 2-oxo-3-pyridin-2-ylpropanoate.

Molecular Properties

Compound Namemethyl 2-oxo-3-pyridin-2-ylpropanoate
PubChem CID13353658
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Namemethyl 2-oxo-3-pyridin-2-ylpropanoate
SMILESCOC(=O)C(=O)Cc1ccccn1
InChIInChI=1S/C9H9NO3/c1-13-9(12)8(11)6-7-4-2-3-5-10-7/h2-5H,6H2,1H3
InChIKeyGUYRUKAOOXUUFV-UHFFFAOYSA-N
XLogP0.37
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

methyl 2-phenyl-2-[(2-pyridin-2-ylacetyl)amino]acetate
CID 62110186
[dimethyl-(2-pyridin-2-ylacetyl)oxysilyl] 2-pyridin-2-ylacetate
CID 90113041
CID 131857449
CID 131857449
methane;3-methyl-1-pyridin-2-ylbutan-2-one
CID 159764567
1-(2-methoxyethylamino)-3-pyridin-2-ylpropan-2-one
CID 116591647
methyl 3-methyl-2-[(2-pyridin-2-ylacetyl)amino]butanoate
CID 43623163
4-methylidene-1-pyridin-2-ylhexan-2-one
CID 66045043
3-methyl-3-(methylamino)-1-pyridin-2-ylbutan-2-one
CID 116566539
methyl 2-methyl-4-(2-pyridin-2-ylethoxy)but-2-enoate
CID 77076347
molecular hydrogen;2-pyridin-2-ylacetamide
CID 145224814
N-phenyl-2-pyridin-2-ylacetamide chloride
CID 21234777
(2-pyridin-2-ylacetyl) 2-pyridin-2-ylacetate;1H-pyrrole
CID 174963764

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-3-pyridin-2-ylpropanoate?
The IUPAC name of methyl 2-oxo-3-pyridin-2-ylpropanoate (CID 13353658) is methyl 2-oxo-3-pyridin-2-ylpropanoate.
What is the SMILES notation for methyl 2-oxo-3-pyridin-2-ylpropanoate?
The canonical SMILES for methyl 2-oxo-3-pyridin-2-ylpropanoate is COC(=O)C(=O)Cc1ccccn1.
What is the InChIKey of methyl 2-oxo-3-pyridin-2-ylpropanoate?
The InChIKey is GUYRUKAOOXUUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c1-13-9(12)8(11)6-7-4-2-3-5-10-7/h2-5H,6H2,1H3.
What are the key properties of methyl 2-oxo-3-pyridin-2-ylpropanoate?
methyl 2-oxo-3-pyridin-2-ylpropanoate has a molecular weight of 179.17 g/mol, XLogP of 0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-3-pyridin-2-ylpropanoate is sourced from PubChem (CID 13353658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).